UCSF

ZINC59863463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.10 8.45 -5.7 0 3 0 30 335.875 5
Mid Mid (pH 6-8) 4.10 10.71 -41.51 1 3 1 31 336.883 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )